N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide

C12H16BrN5O2S — CID 106020549

IUPACN-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)Nc2ccc(Br)cn2)n[nH]c1C
InChIInChI=1S/C12H16BrN5O2S/c1-3-14-7-10-8(2)16-17-12(10)21(19,20)18-11-5-4-9(13)6-15-11/h4-6,14H,3,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXRSRLCOAEBHJGE-UHFFFAOYSA-N
MW374.26 g/mol
LogP1.79
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide

N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106020549) has the molecular formula C12H16BrN5O2S and a molecular weight of 374.26 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106020549
Molecular FormulaC12H16BrN5O2S
Molecular Weight374.26 g/mol
Exact Mass373.02
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)Nc2ccc(Br)cn2)n[nH]c1C
InChIInChI=1S/C12H16BrN5O2S/c1-3-14-7-10-8(2)16-17-12(10)21(19,20)18-11-5-4-9(13)6-15-11/h4-6,14H,3,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXRSRLCOAEBHJGE-UHFFFAOYSA-N
XLogP1.79
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide
CID 106082529
N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070808
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106086042
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018854
4-[(5-bromo-2-pyridinyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428200
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106411271
4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106073747

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106020549) is N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide is CCNCc1c(S(=O)(=O)Nc2ccc(Br)cn2)n[nH]c1C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is XRSRLCOAEBHJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2S/c1-3-14-7-10-8(2)16-17-12(10)21(19,20)18-11-5-4-9(13)6-15-11/h4-6,14H,3,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 374.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106020549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).